N-(4-bromophenyl)-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide

C22H14BrN5OS — CID 59603821

IUPACN-(4-bromophenyl)-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cc(-c2cnn3cc(-c4cccnc4)cnc23)cs1
InChIInChI=1S/C22H14BrN5OS/c23-17-3-5-18(6-4-17)27-22(29)20-8-15(13-30-20)19-11-26-28-12-16(10-25-21(19)28)14-2-1-7-24-9-14/h1-13H,(H,27,29)
InChIKeyNBGZVFLQXVYEES-UHFFFAOYSA-N
MW476.36 g/mol
LogP5.53
Rot. Bonds4

About N-(4-bromophenyl)-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide

N-(4-bromophenyl)-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide (PubChem CID 59603821) has the molecular formula C22H14BrN5OS and a molecular weight of 476.36 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide
PubChem CID59603821
Molecular FormulaC22H14BrN5OS
Molecular Weight476.36 g/mol
Exact Mass475.01
IUPAC NameN-(4-bromophenyl)-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cc(-c2cnn3cc(-c4cccnc4)cnc23)cs1
InChIInChI=1S/C22H14BrN5OS/c23-17-3-5-18(6-4-17)27-22(29)20-8-15(13-30-20)19-11-26-28-12-16(10-25-21(19)28)14-2-1-7-24-9-14/h1-13H,(H,27,29)
InChIKeyNBGZVFLQXVYEES-UHFFFAOYSA-N
XLogP5.53
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.36
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide
CID 59604033
N-[(2,5-difluorophenyl)methyl]-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide
CID 59604024
4-[6-(6-acetamido-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 59603928
[2-methyl-1-[[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carbonyl]amino]propan-2-yl]azanium
CID 59604043
N-cyclopropyl-4-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
CID 24758311
N-(2-hydroxyethyl)-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
CID 70820328
N-(3-morpholin-4-ylpropyl)-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)thiophene-2-carboxamide
CID 10433757
N-[(1R,2S)-2-amino-3,3,3-trifluoro-1-phenylpropyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
CID 59603903
N-(3-indol-1-ylpropyl)-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)thiophene-2-carboxamide
CID 10028021
N-(1-hydroxypropan-2-yl)-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
CID 70820315
4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-[(2S)-1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl]thiophene-2-carboxamide
CID 59603955
4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-[(3R)-piperidin-3-yl]thiophene-2-carboxamide
CID 59603852

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide?
The IUPAC name of N-(4-bromophenyl)-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide (CID 59603821) is N-(4-bromophenyl)-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide is O=C(Nc1ccc(Br)cc1)c1cc(-c2cnn3cc(-c4cccnc4)cnc23)cs1.
What is the InChIKey of N-(4-bromophenyl)-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide?
The InChIKey is NBGZVFLQXVYEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrN5OS/c23-17-3-5-18(6-4-17)27-22(29)20-8-15(13-30-20)19-11-26-28-12-16(10-25-21(19)28)14-2-1-7-24-9-14/h1-13H,(H,27,29).
What are the key properties of N-(4-bromophenyl)-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide?
N-(4-bromophenyl)-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide has a molecular weight of 476.36 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 59603821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).